15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene

C30H18N2O2 — CID 145390318

IUPAC15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene
SMILESc1ccc(-n2c3c4c(ccc3c3ccc5c6ccccc6[nH]c5c32)Oc2ccccc2O4)cc1
InChIInChI=1S/C30H18N2O2/c1-2-8-18(9-3-1)32-28-21(15-14-20-19-10-4-5-11-23(19)31-27(20)28)22-16-17-26-30(29(22)32)34-25-13-7-6-12-24(25)33-26/h1-17,31H
InChIKeyQTBPTZKHMUIMRD-UHFFFAOYSA-N
MW438.49 g/mol
LogP8.32
Rot. Bonds1

About 15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene

15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene (PubChem CID 145390318) has the molecular formula C30H18N2O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene.

Molecular Properties

Compound Name15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene
PubChem CID145390318
Molecular FormulaC30H18N2O2
Molecular Weight438.49 g/mol
Exact Mass438.14
IUPAC Name15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene
SMILESc1ccc(-n2c3c4c(ccc3c3ccc5c6ccccc6[nH]c5c32)Oc2ccccc2O4)cc1
InChIInChI=1S/C30H18N2O2/c1-2-8-18(9-3-1)32-28-21(15-14-20-19-10-4-5-11-23(19)31-27(20)28)22-16-17-26-30(29(22)32)34-25-13-7-6-12-24(25)33-26/h1-17,31H
InChIKeyQTBPTZKHMUIMRD-UHFFFAOYSA-N
XLogP8.32
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene with MolForge

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Related Compounds

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12-(4-bromophenyl)-11H-indolo[2,3-a]carbazole
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9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole
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Frequently Asked Questions

What is the IUPAC name of 15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene?
The IUPAC name of 15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene (CID 145390318) is 15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene.
What is the SMILES notation for 15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene?
The canonical SMILES for 15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene is c1ccc(-n2c3c4c(ccc3c3ccc5c6ccccc6[nH]c5c32)Oc2ccccc2O4)cc1.
What is the InChIKey of 15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene?
The InChIKey is QTBPTZKHMUIMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O2/c1-2-8-18(9-3-1)32-28-21(15-14-20-19-10-4-5-11-23(19)31-27(20)28)22-16-17-26-30(29(22)32)34-25-13-7-6-12-24(25)33-26/h1-17,31H.
What are the key properties of 15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene?
15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene has a molecular weight of 438.49 g/mol, XLogP of 8.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene is sourced from PubChem (CID 145390318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).